[4-[[3-(ethylamino)-3-oxidanyl-2-(2-prop-2-enylphenoxy)pentan-2-yl]amino]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[[3-(ethylamino)-3-oxidanyl-2-(2-prop-2-enylphenoxy)pentan-2-yl]amino]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[[1-(2-allylphenoxy)-2-(ethylamino)-2-hydroxy-1-methyl-butyl]amino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[[3-(ethylamino)-3-hydroxy-2-(2-prop-2-enylphenoxy)pentan-2-yl]amino]-4-oxobutyl] ester IUPAC Name: [4-[[3-(ethylamino)-3-hydroxy-2-(2-prop-2-enylphenoxy)pentan-2-yl]amino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[[1-(2-allylphenoxy)-2-(ethylamino)-2-hydroxy-1-methyl-butyl]amino]-4-keto-butyl] ester Formula: C20H31N3O6 MolecularWeight: 409.47664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(NC(=O)CCCO[N+](=O)[O-])OC1=CC=CC=C1CC=C)(NCC)O

Isomeric SMILES

CCC(C(C)(NC(=O)CCCO[N+](=O)[O-])OC1=CC=CC=C1CC=C)(NCC)O

InChI

InChI=1S/C20H31N3O6/c1-5-11-16-12-8-9-13-17(16)29-19(4,20(25,6-2)21-7-3)22-18(24)14-10-15-28-23(26)27/h5,8-9,12-13,21,25H,1,6-7,10-11,14-15H2,2-4H3,(H,22,24)